USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 36 GLN : amide:sc= 0.785 K(o=2.1,f=-2) USER MOD Set 2.2: A 67 TYR OH : rot -163:sc= 1.31 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0.433 USER MOD Set 3.2: A 17 GLN : amide:sc= 0.445 X(o=0.88,f=0.49) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.368 K(o=-0.37,f=-4.5!) USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 3.24 (180deg=3.1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.3) USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0161) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 CYS SG : rot -128:sc= 0.094 USER MOD Single : A 27 TYR OH : rot 42:sc= 1.18 USER MOD Single : A 29 GLN : amide:sc= 0.79 K(o=0.79,f=-0.05) USER MOD Single : A 32 THR OG1 : rot 68:sc= 0.144 USER MOD Single : A 34 GLN : amide:sc= -0.313 X(o=-0.31,f=-0.027) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -59:sc= 1.31 USER MOD Single : A 43 ASN : amide:sc= -0.469 K(o=-0.47,f=-2.2) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 0.803 (180deg=0.748) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 59 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.43) USER MOD Single : A 60 MET CE :methyl -168:sc= 0 (180deg=-0.149) USER MOD Single : A 61 CYS SG : rot 71:sc= 0.53 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 63 GLN :FLIP amide:sc= 0.73 F(o=-0.82,f=0.73) USER MOD Single : A 68 THR OG1 : rot -64:sc= 1.27 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.654 K(o=0.65,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.635 K(o=0.64,f=0) USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 3 15.754 9.740 -10.881 1.00 0.00 N ATOM 31 CA GLN A 3 16.237 9.716 -9.494 1.00 0.00 C ATOM 32 C GLN A 3 15.064 9.770 -8.490 1.00 0.00 C ATOM 33 O GLN A 3 15.053 9.015 -7.515 1.00 0.00 O ATOM 34 CB GLN A 3 17.288 10.813 -9.259 1.00 0.00 C ATOM 35 CG GLN A 3 18.078 10.549 -7.968 1.00 0.00 C ATOM 36 CD GLN A 3 19.173 11.581 -7.712 1.00 0.00 C ATOM 37 OE1 GLN A 3 19.909 12.000 -8.600 1.00 0.00 O ATOM 38 NE2 GLN A 3 19.359 12.008 -6.486 1.00 0.00 N ATOM 0 HA GLN A 3 16.740 8.765 -9.318 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.972 10.854 -10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 3 16.798 11.785 -9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 3 17.389 10.542 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN A 3 18.527 9.557 -8.021 1.00 0.00 H new ATOM 0 HE21 GLN A 3 18.759 11.673 -5.733 1.00 0.00 H new ATOM 0 HE22 GLN A 3 20.104 12.675 -6.286 1.00 0.00 H new ATOM 47 N PHE A 4 14.025 10.566 -8.770 1.00 0.00 N ATOM 48 CA PHE A 4 12.799 10.609 -7.957 1.00 0.00 C ATOM 49 C PHE A 4 11.868 9.396 -8.145 1.00 0.00 C ATOM 50 O PHE A 4 11.002 9.137 -7.305 1.00 0.00 O ATOM 51 CB PHE A 4 12.109 11.984 -8.090 1.00 0.00 C ATOM 52 CG PHE A 4 10.611 11.995 -8.336 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.079 11.534 -9.556 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.746 12.518 -7.363 1.00 0.00 C ATOM 55 CE1 PHE A 4 8.700 11.615 -9.808 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.365 12.601 -7.609 1.00 0.00 C ATOM 57 CZ PHE A 4 7.842 12.158 -8.836 1.00 0.00 C ATOM 0 H PHE A 4 14.009 11.201 -9.568 1.00 0.00 H new ATOM 0 HA PHE A 4 13.098 10.508 -6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.304 12.548 -7.178 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.588 12.523 -8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.737 11.115 -10.303 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.144 12.859 -6.419 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.300 11.261 -10.746 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.706 13.005 -6.855 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.783 12.235 -9.032 1.00 0.00 H new ATOM 67 N GLU A 5 12.055 8.601 -9.199 1.00 0.00 N ATOM 68 CA GLU A 5 11.469 7.260 -9.304 1.00 0.00 C ATOM 69 C GLU A 5 12.213 6.253 -8.420 1.00 0.00 C ATOM 70 O GLU A 5 11.581 5.611 -7.583 1.00 0.00 O ATOM 71 CB GLU A 5 11.420 6.811 -10.766 1.00 0.00 C ATOM 72 CG GLU A 5 10.243 7.435 -11.526 1.00 0.00 C ATOM 73 CD GLU A 5 8.928 6.747 -11.151 1.00 0.00 C ATOM 74 OE1 GLU A 5 8.092 7.378 -10.453 1.00 0.00 O ATOM 75 OE2 GLU A 5 8.733 5.577 -11.550 1.00 0.00 O ATOM 0 H GLU A 5 12.618 8.867 -10.007 1.00 0.00 H new ATOM 0 HA GLU A 5 10.444 7.304 -8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.353 7.083 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.342 5.725 -10.808 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.180 8.499 -11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.411 7.349 -12.600 1.00 0.00 H new ATOM 83 N LYS A 6 13.547 6.156 -8.497 1.00 0.00 N ATOM 84 CA LYS A 6 14.272 5.193 -7.651 1.00 0.00 C ATOM 85 C LYS A 6 14.223 5.528 -6.159 1.00 0.00 C ATOM 86 O LYS A 6 14.169 4.601 -5.354 1.00 0.00 O ATOM 87 CB LYS A 6 15.662 4.858 -8.218 1.00 0.00 C ATOM 88 CG LYS A 6 16.676 6.009 -8.321 1.00 0.00 C ATOM 89 CD LYS A 6 17.425 6.372 -7.030 1.00 0.00 C ATOM 90 CE LYS A 6 18.203 5.209 -6.399 1.00 0.00 C ATOM 91 NZ LYS A 6 19.286 4.716 -7.280 1.00 0.00 N ATOM 0 H LYS A 6 14.134 6.714 -9.117 1.00 0.00 H new ATOM 0 HA LYS A 6 13.726 4.251 -7.697 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.100 4.076 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.528 4.436 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.412 5.750 -9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.151 6.897 -8.674 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.120 7.184 -7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.707 6.750 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.629 5.532 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.516 4.392 -6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.784 3.931 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.879 4.383 -8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.957 5.487 -7.470 1.00 0.00 H new ATOM 105 N GLN A 7 14.119 6.801 -5.762 1.00 0.00 N ATOM 106 CA GLN A 7 14.032 7.163 -4.344 1.00 0.00 C ATOM 107 C GLN A 7 12.674 6.778 -3.710 1.00 0.00 C ATOM 108 O GLN A 7 12.655 6.236 -2.603 1.00 0.00 O ATOM 109 CB GLN A 7 14.465 8.631 -4.146 1.00 0.00 C ATOM 110 CG GLN A 7 13.333 9.659 -4.090 1.00 0.00 C ATOM 111 CD GLN A 7 13.835 11.100 -4.090 1.00 0.00 C ATOM 112 OE1 GLN A 7 13.644 11.845 -5.040 1.00 0.00 O ATOM 113 NE2 GLN A 7 14.471 11.595 -3.057 1.00 0.00 N ATOM 0 H GLN A 7 14.093 7.596 -6.401 1.00 0.00 H new ATOM 0 HA GLN A 7 14.742 6.561 -3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.038 8.699 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.138 8.904 -4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.672 9.510 -4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 7 12.738 9.487 -3.193 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.653 11.010 -2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 7 14.784 12.566 -3.068 1.00 0.00 H new ATOM 122 N LYS A 8 11.538 6.937 -4.424 1.00 0.00 N ATOM 123 CA LYS A 8 10.213 6.506 -3.911 1.00 0.00 C ATOM 124 C LYS A 8 10.095 4.985 -3.751 1.00 0.00 C ATOM 125 O LYS A 8 9.256 4.518 -2.985 1.00 0.00 O ATOM 126 CB LYS A 8 9.038 7.082 -4.733 1.00 0.00 C ATOM 127 CG LYS A 8 8.927 6.552 -6.172 1.00 0.00 C ATOM 128 CD LYS A 8 7.598 6.870 -6.876 1.00 0.00 C ATOM 129 CE LYS A 8 7.326 8.360 -7.133 1.00 0.00 C ATOM 130 NZ LYS A 8 8.263 8.924 -8.134 1.00 0.00 N ATOM 0 H LYS A 8 11.509 7.358 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 8 10.142 6.931 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.107 6.864 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.137 8.167 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 8 9.743 6.969 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.065 5.471 -6.158 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.578 6.345 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.783 6.468 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.301 8.488 -7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.416 8.913 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.986 9.901 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.229 8.917 -7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.233 8.350 -9.000 1.00 0.00 H new ATOM 144 N GLU A 9 10.943 4.220 -4.438 1.00 0.00 N ATOM 145 CA GLU A 9 11.008 2.759 -4.326 1.00 0.00 C ATOM 146 C GLU A 9 12.090 2.289 -3.332 1.00 0.00 C ATOM 147 O GLU A 9 11.864 1.310 -2.612 1.00 0.00 O ATOM 148 CB GLU A 9 11.180 2.149 -5.726 1.00 0.00 C ATOM 149 CG GLU A 9 10.069 2.602 -6.693 1.00 0.00 C ATOM 150 CD GLU A 9 10.098 1.838 -8.019 1.00 0.00 C ATOM 151 OE1 GLU A 9 11.195 1.525 -8.537 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.027 1.531 -8.593 1.00 0.00 O ATOM 0 H GLU A 9 11.617 4.603 -5.101 1.00 0.00 H new ATOM 0 HA GLU A 9 10.068 2.399 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.151 2.436 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.174 1.062 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.098 2.461 -6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.176 3.669 -6.890 1.00 0.00 H new ATOM 160 N GLN A 10 13.209 3.017 -3.197 1.00 0.00 N ATOM 161 CA GLN A 10 14.215 2.802 -2.145 1.00 0.00 C ATOM 162 C GLN A 10 13.593 2.949 -0.749 1.00 0.00 C ATOM 163 O GLN A 10 13.828 2.100 0.108 1.00 0.00 O ATOM 164 CB GLN A 10 15.405 3.768 -2.328 1.00 0.00 C ATOM 165 CG GLN A 10 16.505 3.563 -1.267 1.00 0.00 C ATOM 166 CD GLN A 10 17.740 4.428 -1.518 1.00 0.00 C ATOM 167 OE1 GLN A 10 18.471 4.255 -2.485 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.042 5.405 -0.689 1.00 0.00 N ATOM 0 H GLN A 10 13.444 3.785 -3.826 1.00 0.00 H new ATOM 0 HA GLN A 10 14.589 1.782 -2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 10 15.833 3.628 -3.321 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.045 4.796 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.100 3.793 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.799 2.513 -1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.457 5.580 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.861 5.987 -0.864 1.00 0.00 H new ATOM 177 N GLY A 11 12.741 3.957 -0.525 1.00 0.00 N ATOM 178 CA GLY A 11 11.991 4.101 0.728 1.00 0.00 C ATOM 179 C GLY A 11 11.187 2.849 1.116 1.00 0.00 C ATOM 180 O GLY A 11 11.198 2.446 2.277 1.00 0.00 O ATOM 0 H GLY A 11 12.553 4.693 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.687 4.338 1.532 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.309 4.946 0.637 1.00 0.00 H new ATOM 184 N ASN A 12 10.559 2.166 0.151 1.00 0.00 N ATOM 185 CA ASN A 12 9.801 0.935 0.404 1.00 0.00 C ATOM 186 C ASN A 12 10.737 -0.229 0.765 1.00 0.00 C ATOM 187 O ASN A 12 10.467 -0.983 1.700 1.00 0.00 O ATOM 188 CB ASN A 12 8.938 0.610 -0.827 1.00 0.00 C ATOM 189 CG ASN A 12 7.940 -0.508 -0.571 1.00 0.00 C ATOM 190 OD1 ASN A 12 7.483 -0.746 0.534 1.00 0.00 O ATOM 191 ND2 ASN A 12 7.540 -1.207 -1.598 1.00 0.00 N ATOM 0 H ASN A 12 10.562 2.452 -0.828 1.00 0.00 H new ATOM 0 HA ASN A 12 9.145 1.086 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.400 1.507 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.588 0.328 -1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.849 -1.947 -1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.918 -1.013 -2.525 1.00 0.00 H new ATOM 198 N SER A 13 11.885 -0.325 0.085 1.00 0.00 N ATOM 199 CA SER A 13 12.934 -1.288 0.431 1.00 0.00 C ATOM 200 C SER A 13 13.456 -1.060 1.853 1.00 0.00 C ATOM 201 O SER A 13 13.554 -2.008 2.626 1.00 0.00 O ATOM 202 CB SER A 13 14.071 -1.223 -0.585 1.00 0.00 C ATOM 203 OG SER A 13 14.941 -2.321 -0.399 1.00 0.00 O ATOM 0 H SER A 13 12.112 0.261 -0.718 1.00 0.00 H new ATOM 0 HA SER A 13 12.499 -2.287 0.400 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.668 -1.234 -1.598 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.620 -0.288 -0.471 1.00 0.00 H new ATOM 0 HG SER A 13 15.669 -2.276 -1.054 1.00 0.00 H new ATOM 209 N LEU A 14 13.686 0.193 2.260 1.00 0.00 N ATOM 210 CA LEU A 14 14.074 0.529 3.634 1.00 0.00 C ATOM 211 C LEU A 14 13.010 0.070 4.655 1.00 0.00 C ATOM 212 O LEU A 14 13.377 -0.527 5.666 1.00 0.00 O ATOM 213 CB LEU A 14 14.383 2.036 3.740 1.00 0.00 C ATOM 214 CG LEU A 14 15.650 2.507 2.997 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.714 4.036 3.018 1.00 0.00 C ATOM 216 CD2 LEU A 14 16.931 1.978 3.642 1.00 0.00 C ATOM 0 H LEU A 14 13.608 1.003 1.645 1.00 0.00 H new ATOM 0 HA LEU A 14 14.984 -0.016 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.529 2.592 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.483 2.296 4.794 1.00 0.00 H new ATOM 0 HG LEU A 14 15.585 2.121 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.609 4.370 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 14 14.831 4.444 2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.747 4.385 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.795 2.337 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.993 2.331 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.920 0.888 3.632 1.00 0.00 H new ATOM 228 N PHE A 15 11.706 0.216 4.380 1.00 0.00 N ATOM 229 CA PHE A 15 10.652 -0.393 5.215 1.00 0.00 C ATOM 230 C PHE A 15 10.721 -1.931 5.245 1.00 0.00 C ATOM 231 O PHE A 15 10.571 -2.532 6.313 1.00 0.00 O ATOM 232 CB PHE A 15 9.255 0.061 4.765 1.00 0.00 C ATOM 233 CG PHE A 15 8.853 1.425 5.282 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.541 1.583 6.643 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.750 2.526 4.415 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.197 2.845 7.152 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.379 3.785 4.919 1.00 0.00 C ATOM 238 CZ PHE A 15 8.108 3.947 6.289 1.00 0.00 C ATOM 0 H PHE A 15 11.352 0.750 3.586 1.00 0.00 H new ATOM 0 HA PHE A 15 10.834 -0.041 6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.222 0.073 3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.521 -0.673 5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.566 0.728 7.302 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.956 2.405 3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.001 2.967 8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.302 4.631 4.251 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.832 4.917 6.676 1.00 0.00 H new ATOM 248 N LYS A 16 11.010 -2.580 4.110 1.00 0.00 N ATOM 249 CA LYS A 16 11.207 -4.044 4.015 1.00 0.00 C ATOM 250 C LYS A 16 12.476 -4.547 4.726 1.00 0.00 C ATOM 251 O LYS A 16 12.549 -5.735 5.044 1.00 0.00 O ATOM 252 CB LYS A 16 11.184 -4.500 2.541 1.00 0.00 C ATOM 253 CG LYS A 16 9.817 -4.997 2.033 1.00 0.00 C ATOM 254 CD LYS A 16 8.781 -3.913 1.698 1.00 0.00 C ATOM 255 CE LYS A 16 8.095 -3.234 2.892 1.00 0.00 C ATOM 256 NZ LYS A 16 7.253 -4.162 3.683 1.00 0.00 N ATOM 0 H LYS A 16 11.116 -2.102 3.215 1.00 0.00 H new ATOM 0 HA LYS A 16 10.370 -4.498 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.507 -3.669 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.915 -5.299 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.982 -5.600 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.390 -5.657 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.272 -3.143 1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.010 -4.359 1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.855 -2.800 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.478 -2.412 2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.777 -3.636 4.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.540 -4.597 3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.851 -4.905 4.098 1.00 0.00 H new ATOM 270 N GLN A 17 13.435 -3.666 5.016 1.00 0.00 N ATOM 271 CA GLN A 17 14.572 -3.921 5.930 1.00 0.00 C ATOM 272 C GLN A 17 14.284 -3.504 7.385 1.00 0.00 C ATOM 273 O GLN A 17 15.098 -3.761 8.270 1.00 0.00 O ATOM 274 CB GLN A 17 15.865 -3.231 5.437 1.00 0.00 C ATOM 275 CG GLN A 17 16.650 -4.035 4.391 1.00 0.00 C ATOM 276 CD GLN A 17 15.980 -3.987 3.031 1.00 0.00 C ATOM 277 OE1 GLN A 17 15.162 -4.824 2.676 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.265 -2.981 2.243 1.00 0.00 N ATOM 0 H GLN A 17 13.451 -2.728 4.616 1.00 0.00 H new ATOM 0 HA GLN A 17 14.716 -5.001 5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.606 -2.261 5.013 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.512 -3.042 6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.663 -3.640 4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 17 16.737 -5.071 4.718 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.947 -2.281 2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.805 -2.897 1.336 1.00 0.00 H new ATOM 287 N GLY A 18 13.154 -2.845 7.656 1.00 0.00 N ATOM 288 CA GLY A 18 12.810 -2.302 8.976 1.00 0.00 C ATOM 289 C GLY A 18 13.474 -0.961 9.318 1.00 0.00 C ATOM 290 O GLY A 18 13.340 -0.491 10.448 1.00 0.00 O ATOM 0 H GLY A 18 12.438 -2.670 6.951 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.728 -2.179 9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.087 -3.032 9.736 1.00 0.00 H new ATOM 294 N LEU A 19 14.140 -0.309 8.354 1.00 0.00 N ATOM 295 CA LEU A 19 14.839 0.979 8.480 1.00 0.00 C ATOM 296 C LEU A 19 13.867 2.169 8.404 1.00 0.00 C ATOM 297 O LEU A 19 14.100 3.142 7.690 1.00 0.00 O ATOM 298 CB LEU A 19 15.988 1.023 7.448 1.00 0.00 C ATOM 299 CG LEU A 19 17.080 -0.047 7.667 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.024 -0.098 6.465 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.923 0.247 8.909 1.00 0.00 C ATOM 0 H LEU A 19 14.209 -0.689 7.410 1.00 0.00 H new ATOM 0 HA LEU A 19 15.287 1.070 9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.569 0.899 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.451 2.009 7.479 1.00 0.00 H new ATOM 0 HG LEU A 19 16.564 -0.999 7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.788 -0.857 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.458 -0.347 5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.500 0.874 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.679 -0.529 9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.411 1.215 8.797 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.280 0.264 9.789 1.00 0.00 H new ATOM 313 N TYR A 20 12.760 2.083 9.150 1.00 0.00 N ATOM 314 CA TYR A 20 11.635 3.026 9.137 1.00 0.00 C ATOM 315 C TYR A 20 12.066 4.495 9.294 1.00 0.00 C ATOM 316 O TYR A 20 11.549 5.351 8.580 1.00 0.00 O ATOM 317 CB TYR A 20 10.653 2.704 10.279 1.00 0.00 C ATOM 318 CG TYR A 20 9.923 1.368 10.325 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.088 0.352 9.358 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.003 1.178 11.372 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.306 -0.823 9.426 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.218 0.014 11.442 1.00 0.00 C ATOM 323 CZ TYR A 20 8.356 -0.985 10.457 1.00 0.00 C ATOM 324 OH TYR A 20 7.555 -2.083 10.492 1.00 0.00 O ATOM 0 H TYR A 20 12.617 1.319 9.810 1.00 0.00 H new ATOM 0 HA TYR A 20 11.166 2.908 8.160 1.00 0.00 H new ATOM 0 HB2 TYR A 20 11.206 2.799 11.214 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.892 3.485 10.277 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.812 0.473 8.566 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.898 1.937 12.133 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.436 -1.600 8.687 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.511 -0.115 12.248 1.00 0.00 H new ATOM 0 HH TYR A 20 6.962 -2.031 11.271 1.00 0.00 H new ATOM 334 N ARG A 21 13.023 4.807 10.181 1.00 0.00 N ATOM 335 CA ARG A 21 13.429 6.205 10.455 1.00 0.00 C ATOM 336 C ARG A 21 14.249 6.795 9.302 1.00 0.00 C ATOM 337 O ARG A 21 14.215 8.003 9.073 1.00 0.00 O ATOM 338 CB ARG A 21 14.190 6.342 11.793 1.00 0.00 C ATOM 339 CG ARG A 21 13.368 6.162 13.085 1.00 0.00 C ATOM 340 CD ARG A 21 12.814 4.744 13.279 1.00 0.00 C ATOM 341 NE ARG A 21 12.340 4.504 14.657 1.00 0.00 N ATOM 342 CZ ARG A 21 12.231 3.328 15.255 1.00 0.00 C ATOM 343 NH1 ARG A 21 12.525 2.210 14.666 1.00 0.00 N ATOM 344 NH2 ARG A 21 11.822 3.245 16.485 1.00 0.00 N ATOM 0 H ARG A 21 13.535 4.112 10.725 1.00 0.00 H new ATOM 0 HA ARG A 21 12.507 6.780 10.542 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.998 5.610 11.800 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.653 7.328 11.820 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.994 6.417 13.940 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.537 6.868 13.076 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.992 4.580 12.582 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.589 4.018 13.034 1.00 0.00 H new ATOM 0 HE ARG A 21 12.070 5.324 15.201 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.856 2.214 13.701 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.425 1.328 15.168 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.581 4.091 17.000 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.742 2.333 16.935 1.00 0.00 H new ATOM 358 N GLU A 22 14.955 5.957 8.541 1.00 0.00 N ATOM 359 CA GLU A 22 15.624 6.359 7.301 1.00 0.00 C ATOM 360 C GLU A 22 14.633 6.381 6.118 1.00 0.00 C ATOM 361 O GLU A 22 14.685 7.284 5.280 1.00 0.00 O ATOM 362 CB GLU A 22 16.804 5.402 7.091 1.00 0.00 C ATOM 363 CG GLU A 22 17.851 5.883 6.087 1.00 0.00 C ATOM 364 CD GLU A 22 18.611 7.134 6.559 1.00 0.00 C ATOM 365 OE1 GLU A 22 19.596 7.009 7.329 1.00 0.00 O ATOM 366 OE2 GLU A 22 18.207 8.263 6.183 1.00 0.00 O ATOM 0 H GLU A 22 15.080 4.971 8.770 1.00 0.00 H new ATOM 0 HA GLU A 22 16.004 7.379 7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 22 17.292 5.234 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 22 16.417 4.439 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 22 18.565 5.080 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.362 6.099 5.137 1.00 0.00 H new ATOM 374 N ALA A 23 13.673 5.447 6.085 1.00 0.00 N ATOM 375 CA ALA A 23 12.620 5.371 5.069 1.00 0.00 C ATOM 376 C ALA A 23 11.686 6.597 5.074 1.00 0.00 C ATOM 377 O ALA A 23 11.486 7.226 4.034 1.00 0.00 O ATOM 378 CB ALA A 23 11.819 4.082 5.290 1.00 0.00 C ATOM 0 H ALA A 23 13.607 4.706 6.783 1.00 0.00 H new ATOM 0 HA ALA A 23 13.097 5.363 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.030 4.011 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.482 3.222 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.374 4.096 6.285 1.00 0.00 H new ATOM 384 N VAL A 24 11.159 6.973 6.247 1.00 0.00 N ATOM 385 CA VAL A 24 10.294 8.155 6.442 1.00 0.00 C ATOM 386 C VAL A 24 10.998 9.430 5.975 1.00 0.00 C ATOM 387 O VAL A 24 10.386 10.246 5.289 1.00 0.00 O ATOM 388 CB VAL A 24 9.860 8.260 7.925 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.237 9.616 8.288 1.00 0.00 C ATOM 390 CG2 VAL A 24 8.812 7.187 8.247 1.00 0.00 C ATOM 0 H VAL A 24 11.323 6.455 7.110 1.00 0.00 H new ATOM 0 HA VAL A 24 9.398 8.036 5.833 1.00 0.00 H new ATOM 0 HB VAL A 24 10.775 8.129 8.503 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.957 9.617 9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.961 10.410 8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.350 9.784 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.515 7.271 9.292 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.939 7.328 7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.236 6.199 8.069 1.00 0.00 H new ATOM 400 N HIS A 25 12.296 9.578 6.257 1.00 0.00 N ATOM 401 CA HIS A 25 13.077 10.718 5.793 1.00 0.00 C ATOM 402 C HIS A 25 13.143 10.802 4.260 1.00 0.00 C ATOM 403 O HIS A 25 12.947 11.893 3.728 1.00 0.00 O ATOM 404 CB HIS A 25 14.469 10.671 6.439 1.00 0.00 C ATOM 405 CG HIS A 25 14.555 11.489 7.703 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.508 12.441 7.979 1.00 0.00 N ATOM 407 CD2 HIS A 25 13.677 11.487 8.755 1.00 0.00 C ATOM 408 CE1 HIS A 25 15.223 12.995 9.166 1.00 0.00 C ATOM 409 NE2 HIS A 25 14.096 12.463 9.673 1.00 0.00 N ATOM 0 H HIS A 25 12.830 8.910 6.813 1.00 0.00 H new ATOM 0 HA HIS A 25 12.577 11.635 6.106 1.00 0.00 H new ATOM 0 HB2 HIS A 25 14.725 9.636 6.664 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.208 11.035 5.725 1.00 0.00 H new ATOM 0 HD2 HIS A 25 12.814 10.847 8.860 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.814 13.760 9.647 1.00 0.00 H new ATOM 0 HE2 HIS A 25 13.638 12.718 10.548 1.00 0.00 H new ATOM 418 N CYS A 26 13.330 9.683 3.547 1.00 0.00 N ATOM 419 CA CYS A 26 13.348 9.654 2.075 1.00 0.00 C ATOM 420 C CYS A 26 12.012 10.120 1.469 1.00 0.00 C ATOM 421 O CYS A 26 11.990 10.984 0.591 1.00 0.00 O ATOM 422 CB CYS A 26 13.712 8.230 1.622 1.00 0.00 C ATOM 423 SG CYS A 26 13.925 8.173 -0.180 1.00 0.00 S ATOM 0 H CYS A 26 13.474 8.768 3.975 1.00 0.00 H new ATOM 0 HA CYS A 26 14.098 10.357 1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 26 14.631 7.909 2.113 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.929 7.534 1.924 1.00 0.00 H new ATOM 0 HG CYS A 26 13.197 7.215 -0.673 1.00 0.00 H new ATOM 429 N TYR A 27 10.887 9.622 1.989 1.00 0.00 N ATOM 430 CA TYR A 27 9.552 10.068 1.568 1.00 0.00 C ATOM 431 C TYR A 27 9.263 11.527 1.920 1.00 0.00 C ATOM 432 O TYR A 27 8.621 12.221 1.131 1.00 0.00 O ATOM 433 CB TYR A 27 8.494 9.122 2.152 1.00 0.00 C ATOM 434 CG TYR A 27 8.474 7.764 1.482 1.00 0.00 C ATOM 435 CD1 TYR A 27 8.096 7.673 0.129 1.00 0.00 C ATOM 436 CD2 TYR A 27 8.831 6.600 2.188 1.00 0.00 C ATOM 437 CE1 TYR A 27 8.080 6.428 -0.525 1.00 0.00 C ATOM 438 CE2 TYR A 27 8.775 5.345 1.549 1.00 0.00 C ATOM 439 CZ TYR A 27 8.407 5.261 0.191 1.00 0.00 C ATOM 440 OH TYR A 27 8.403 4.065 -0.441 1.00 0.00 O ATOM 0 H TYR A 27 10.873 8.901 2.711 1.00 0.00 H new ATOM 0 HA TYR A 27 9.515 10.026 0.479 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.681 8.992 3.218 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.511 9.582 2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.816 8.566 -0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.148 6.668 3.218 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.818 6.368 -1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.014 4.447 2.100 1.00 0.00 H new ATOM 0 HH TYR A 27 8.808 4.162 -1.328 1.00 0.00 H new ATOM 450 N ASP A 28 9.790 12.033 3.034 1.00 0.00 N ATOM 451 CA ASP A 28 9.702 13.457 3.351 1.00 0.00 C ATOM 452 C ASP A 28 10.571 14.323 2.412 1.00 0.00 C ATOM 453 O ASP A 28 10.183 15.453 2.117 1.00 0.00 O ATOM 454 CB ASP A 28 10.020 13.676 4.832 1.00 0.00 C ATOM 455 CG ASP A 28 9.335 14.933 5.363 1.00 0.00 C ATOM 456 OD1 ASP A 28 10.028 15.950 5.608 1.00 0.00 O ATOM 457 OD2 ASP A 28 8.100 14.898 5.598 1.00 0.00 O ATOM 0 H ASP A 28 10.283 11.477 3.733 1.00 0.00 H new ATOM 0 HA ASP A 28 8.679 13.790 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.695 12.810 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.098 13.762 4.966 1.00 0.00 H new ATOM 463 N GLN A 29 11.676 13.793 1.854 1.00 0.00 N ATOM 464 CA GLN A 29 12.476 14.511 0.846 1.00 0.00 C ATOM 465 C GLN A 29 11.703 14.715 -0.468 1.00 0.00 C ATOM 466 O GLN A 29 11.870 15.759 -1.099 1.00 0.00 O ATOM 467 CB GLN A 29 13.831 13.839 0.532 1.00 0.00 C ATOM 468 CG GLN A 29 14.821 13.589 1.687 1.00 0.00 C ATOM 469 CD GLN A 29 14.844 14.677 2.757 1.00 0.00 C ATOM 470 OE1 GLN A 29 15.541 15.679 2.640 1.00 0.00 O ATOM 471 NE2 GLN A 29 14.110 14.518 3.833 1.00 0.00 N ATOM 0 H GLN A 29 12.035 12.867 2.086 1.00 0.00 H new ATOM 0 HA GLN A 29 12.682 15.479 1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.622 12.878 0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.339 14.453 -0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.573 12.639 2.160 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.824 13.486 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.528 13.686 3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 29 14.121 15.226 4.567 1.00 0.00 H new ATOM 480 N LEU A 30 10.800 13.797 -0.852 1.00 0.00 N ATOM 481 CA LEU A 30 9.892 14.027 -1.992 1.00 0.00 C ATOM 482 C LEU A 30 9.036 15.285 -1.776 1.00 0.00 C ATOM 483 O LEU A 30 8.785 16.029 -2.725 1.00 0.00 O ATOM 484 CB LEU A 30 8.927 12.852 -2.226 1.00 0.00 C ATOM 485 CG LEU A 30 9.517 11.442 -2.389 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.372 10.431 -2.404 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.271 11.287 -3.702 1.00 0.00 C ATOM 0 H LEU A 30 10.678 12.894 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 30 10.541 14.142 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.228 12.825 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.345 13.074 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 30 10.206 11.276 -1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.776 9.425 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.818 10.494 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.703 10.651 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.671 10.276 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.592 11.470 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.091 12.005 -3.738 1.00 0.00 H new ATOM 499 N ILE A 31 8.599 15.531 -0.537 1.00 0.00 N ATOM 500 CA ILE A 31 7.822 16.737 -0.190 1.00 0.00 C ATOM 501 C ILE A 31 8.726 17.973 -0.018 1.00 0.00 C ATOM 502 O ILE A 31 8.262 19.098 -0.188 1.00 0.00 O ATOM 503 CB ILE A 31 6.914 16.552 1.052 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.517 15.109 1.423 1.00 0.00 C ATOM 505 CG2 ILE A 31 5.637 17.399 0.887 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.742 14.300 0.382 1.00 0.00 C ATOM 0 H ILE A 31 8.769 14.908 0.252 1.00 0.00 H new ATOM 0 HA ILE A 31 7.161 16.905 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 31 7.536 16.884 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.428 14.561 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.918 15.148 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.999 17.269 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.908 18.450 0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.100 17.078 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.530 13.306 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.804 14.806 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.338 14.210 -0.526 1.00 0.00 H new ATOM 518 N THR A 32 10.019 17.803 0.272 1.00 0.00 N ATOM 519 CA THR A 32 11.005 18.899 0.230 1.00 0.00 C ATOM 520 C THR A 32 11.271 19.348 -1.215 1.00 0.00 C ATOM 521 O THR A 32 11.334 20.547 -1.486 1.00 0.00 O ATOM 522 CB THR A 32 12.321 18.497 0.924 1.00 0.00 C ATOM 523 OG1 THR A 32 12.046 17.996 2.214 1.00 0.00 O ATOM 524 CG2 THR A 32 13.274 19.676 1.117 1.00 0.00 C ATOM 0 H THR A 32 10.417 16.904 0.543 1.00 0.00 H new ATOM 0 HA THR A 32 10.581 19.741 0.776 1.00 0.00 H new ATOM 0 HB THR A 32 12.787 17.754 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.574 17.141 2.139 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.183 19.332 1.610 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.527 20.102 0.146 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.793 20.436 1.732 1.00 0.00 H new ATOM 532 N ALA A 33 11.384 18.408 -2.158 1.00 0.00 N ATOM 533 CA ALA A 33 11.703 18.684 -3.563 1.00 0.00 C ATOM 534 C ALA A 33 10.481 19.065 -4.427 1.00 0.00 C ATOM 535 O ALA A 33 10.609 19.920 -5.307 1.00 0.00 O ATOM 536 CB ALA A 33 12.437 17.462 -4.121 1.00 0.00 C ATOM 0 H ALA A 33 11.254 17.415 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 33 12.337 19.570 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.689 17.635 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.351 17.294 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.795 16.585 -4.043 1.00 0.00 H new ATOM 542 N GLN A 34 9.297 18.492 -4.167 1.00 0.00 N ATOM 543 CA GLN A 34 8.031 18.795 -4.862 1.00 0.00 C ATOM 544 C GLN A 34 6.893 19.215 -3.883 1.00 0.00 C ATOM 545 O GLN A 34 5.911 18.479 -3.742 1.00 0.00 O ATOM 546 CB GLN A 34 7.610 17.601 -5.740 1.00 0.00 C ATOM 547 CG GLN A 34 8.553 17.098 -6.849 1.00 0.00 C ATOM 548 CD GLN A 34 9.745 16.253 -6.410 1.00 0.00 C ATOM 549 OE1 GLN A 34 10.833 16.374 -6.958 1.00 0.00 O ATOM 550 NE2 GLN A 34 9.577 15.338 -5.478 1.00 0.00 N ATOM 0 H GLN A 34 9.187 17.781 -3.444 1.00 0.00 H new ATOM 0 HA GLN A 34 8.207 19.658 -5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.413 16.761 -5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.663 17.862 -6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.964 16.513 -7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.932 17.964 -7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.671 15.236 -5.021 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.353 14.731 -5.213 1.00 0.00 H new ATOM 559 N PRO A 35 6.975 20.373 -3.185 1.00 0.00 N ATOM 560 CA PRO A 35 6.099 20.704 -2.048 1.00 0.00 C ATOM 561 C PRO A 35 4.582 20.739 -2.264 1.00 0.00 C ATOM 562 O PRO A 35 3.853 20.628 -1.274 1.00 0.00 O ATOM 563 CB PRO A 35 6.544 22.092 -1.588 1.00 0.00 C ATOM 564 CG PRO A 35 8.029 22.115 -1.926 1.00 0.00 C ATOM 565 CD PRO A 35 8.053 21.359 -3.253 1.00 0.00 C ATOM 0 HA PRO A 35 6.219 19.885 -1.339 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.001 22.881 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 35 6.372 22.236 -0.521 1.00 0.00 H new ATOM 0 HG2 PRO A 35 8.411 23.131 -2.026 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.631 21.622 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.904 22.040 -4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.016 20.872 -3.405 1.00 0.00 H new ATOM 573 N GLN A 36 4.096 20.921 -3.495 1.00 0.00 N ATOM 574 CA GLN A 36 2.662 20.987 -3.808 1.00 0.00 C ATOM 575 C GLN A 36 2.229 19.923 -4.838 1.00 0.00 C ATOM 576 O GLN A 36 1.147 20.007 -5.424 1.00 0.00 O ATOM 577 CB GLN A 36 2.286 22.436 -4.190 1.00 0.00 C ATOM 578 CG GLN A 36 0.790 22.783 -4.064 1.00 0.00 C ATOM 579 CD GLN A 36 0.256 22.652 -2.640 1.00 0.00 C ATOM 580 OE1 GLN A 36 -0.081 21.572 -2.165 1.00 0.00 O ATOM 581 NE2 GLN A 36 0.206 23.723 -1.884 1.00 0.00 N ATOM 0 H GLN A 36 4.694 21.028 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 36 2.089 20.729 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.855 23.120 -3.560 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.598 22.616 -5.219 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.631 23.804 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.216 22.129 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.483 24.628 -2.263 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.110 23.650 -0.917 1.00 0.00 H new ATOM 590 N ASN A 37 3.053 18.894 -5.068 1.00 0.00 N ATOM 591 CA ASN A 37 2.691 17.772 -5.929 1.00 0.00 C ATOM 592 C ASN A 37 1.993 16.656 -5.127 1.00 0.00 C ATOM 593 O ASN A 37 2.595 16.108 -4.196 1.00 0.00 O ATOM 594 CB ASN A 37 3.934 17.241 -6.648 1.00 0.00 C ATOM 595 CG ASN A 37 4.203 17.962 -7.947 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.983 18.902 -8.025 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.551 17.522 -8.996 1.00 0.00 N ATOM 0 H ASN A 37 3.986 18.820 -4.662 1.00 0.00 H new ATOM 0 HA ASN A 37 1.982 18.125 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.800 17.343 -5.994 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.808 16.177 -6.846 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.688 17.965 -9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.907 16.737 -8.904 1.00 0.00 H new ATOM 604 N PRO A 38 0.775 16.229 -5.508 1.00 0.00 N ATOM 605 CA PRO A 38 0.088 15.121 -4.842 1.00 0.00 C ATOM 606 C PRO A 38 0.819 13.771 -4.960 1.00 0.00 C ATOM 607 O PRO A 38 0.547 12.878 -4.157 1.00 0.00 O ATOM 608 CB PRO A 38 -1.306 15.074 -5.465 1.00 0.00 C ATOM 609 CG PRO A 38 -1.086 15.663 -6.856 1.00 0.00 C ATOM 610 CD PRO A 38 -0.055 16.751 -6.587 1.00 0.00 C ATOM 0 HA PRO A 38 0.052 15.294 -3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.691 14.055 -5.515 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.024 15.658 -4.889 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.716 14.917 -7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.006 16.069 -7.276 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.540 16.959 -7.476 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.535 17.686 -6.298 1.00 0.00 H new ATOM 618 N VAL A 39 1.782 13.617 -5.885 1.00 0.00 N ATOM 619 CA VAL A 39 2.661 12.433 -5.949 1.00 0.00 C ATOM 620 C VAL A 39 3.319 12.135 -4.595 1.00 0.00 C ATOM 621 O VAL A 39 3.235 11.006 -4.112 1.00 0.00 O ATOM 622 CB VAL A 39 3.716 12.573 -7.073 1.00 0.00 C ATOM 623 CG1 VAL A 39 4.899 13.491 -6.743 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.294 11.203 -7.435 1.00 0.00 C ATOM 0 H VAL A 39 1.974 14.309 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 39 2.031 11.578 -6.193 1.00 0.00 H new ATOM 0 HB VAL A 39 3.168 13.026 -7.899 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.582 13.524 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.532 14.496 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.425 13.107 -5.869 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.034 11.318 -8.227 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.767 10.764 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.493 10.550 -7.780 1.00 0.00 H new ATOM 634 N GLY A 40 3.875 13.152 -3.923 1.00 0.00 N ATOM 635 CA GLY A 40 4.590 12.989 -2.657 1.00 0.00 C ATOM 636 C GLY A 40 3.662 12.542 -1.532 1.00 0.00 C ATOM 637 O GLY A 40 3.979 11.591 -0.823 1.00 0.00 O ATOM 0 H GLY A 40 3.839 14.118 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.387 12.256 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.064 13.932 -2.384 1.00 0.00 H new ATOM 641 N TYR A 41 2.472 13.140 -1.437 1.00 0.00 N ATOM 642 CA TYR A 41 1.407 12.675 -0.543 1.00 0.00 C ATOM 643 C TYR A 41 0.983 11.226 -0.839 1.00 0.00 C ATOM 644 O TYR A 41 0.777 10.455 0.094 1.00 0.00 O ATOM 645 CB TYR A 41 0.210 13.634 -0.626 1.00 0.00 C ATOM 646 CG TYR A 41 0.463 14.995 -0.001 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.369 15.141 1.396 1.00 0.00 C ATOM 648 CD2 TYR A 41 0.791 16.112 -0.797 1.00 0.00 C ATOM 649 CE1 TYR A 41 0.592 16.394 1.995 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.013 17.371 -0.200 1.00 0.00 C ATOM 651 CZ TYR A 41 0.912 17.515 1.202 1.00 0.00 C ATOM 652 OH TYR A 41 1.123 18.719 1.801 1.00 0.00 O ATOM 0 H TYR A 41 2.218 13.965 -1.981 1.00 0.00 H new ATOM 0 HA TYR A 41 1.797 12.675 0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.060 13.771 -1.673 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.646 13.173 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.125 14.287 2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.873 16.003 -1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.518 16.498 3.067 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.260 18.224 -0.814 1.00 0.00 H new ATOM 0 HH TYR A 41 1.335 19.391 1.120 1.00 0.00 H new ATOM 662 N SER A 42 0.928 10.798 -2.106 1.00 0.00 N ATOM 663 CA SER A 42 0.636 9.394 -2.442 1.00 0.00 C ATOM 664 C SER A 42 1.728 8.428 -1.968 1.00 0.00 C ATOM 665 O SER A 42 1.421 7.346 -1.458 1.00 0.00 O ATOM 666 CB SER A 42 0.321 9.230 -3.937 1.00 0.00 C ATOM 667 OG SER A 42 1.469 9.108 -4.754 1.00 0.00 O ATOM 0 H SER A 42 1.081 11.400 -2.915 1.00 0.00 H new ATOM 0 HA SER A 42 -0.261 9.119 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.304 8.348 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.262 10.088 -4.272 1.00 0.00 H new ATOM 0 HG SER A 42 2.035 9.901 -4.644 1.00 0.00 H new ATOM 673 N ASN A 43 3.000 8.826 -2.057 1.00 0.00 N ATOM 674 CA ASN A 43 4.137 8.025 -1.606 1.00 0.00 C ATOM 675 C ASN A 43 4.278 8.035 -0.066 1.00 0.00 C ATOM 676 O ASN A 43 4.547 6.996 0.534 1.00 0.00 O ATOM 677 CB ASN A 43 5.396 8.521 -2.340 1.00 0.00 C ATOM 678 CG ASN A 43 5.355 8.341 -3.852 1.00 0.00 C ATOM 679 OD1 ASN A 43 5.671 9.244 -4.610 1.00 0.00 O ATOM 680 ND2 ASN A 43 5.025 7.171 -4.345 1.00 0.00 N ATOM 0 H ASN A 43 3.271 9.727 -2.450 1.00 0.00 H new ATOM 0 HA ASN A 43 3.980 6.976 -1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.540 9.578 -2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 43 6.264 7.991 -1.947 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.034 7.022 -5.354 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.760 6.410 -3.719 1.00 0.00 H new ATOM 687 N LYS A 44 4.005 9.163 0.601 1.00 0.00 N ATOM 688 CA LYS A 44 3.999 9.280 2.072 1.00 0.00 C ATOM 689 C LYS A 44 2.805 8.556 2.715 1.00 0.00 C ATOM 690 O LYS A 44 2.968 7.910 3.747 1.00 0.00 O ATOM 691 CB LYS A 44 4.111 10.769 2.444 1.00 0.00 C ATOM 692 CG LYS A 44 4.309 11.013 3.949 1.00 0.00 C ATOM 693 CD LYS A 44 4.726 12.468 4.216 1.00 0.00 C ATOM 694 CE LYS A 44 4.794 12.757 5.721 1.00 0.00 C ATOM 695 NZ LYS A 44 5.356 14.102 5.994 1.00 0.00 N ATOM 0 H LYS A 44 3.777 10.038 0.129 1.00 0.00 H new ATOM 0 HA LYS A 44 4.864 8.764 2.488 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.947 11.209 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.209 11.286 2.116 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.385 10.791 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.070 10.335 4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.698 12.660 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.014 13.146 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.795 12.685 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.407 12.000 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.232 14.332 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.369 14.109 5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.861 14.809 5.414 1.00 0.00 H new ATOM 709 N ALA A 45 1.643 8.517 2.057 1.00 0.00 N ATOM 710 CA ALA A 45 0.553 7.614 2.437 1.00 0.00 C ATOM 711 C ALA A 45 0.975 6.133 2.331 1.00 0.00 C ATOM 712 O ALA A 45 0.635 5.331 3.202 1.00 0.00 O ATOM 713 CB ALA A 45 -0.672 7.914 1.566 1.00 0.00 C ATOM 0 H ALA A 45 1.432 9.106 1.251 1.00 0.00 H new ATOM 0 HA ALA A 45 0.299 7.786 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.488 7.246 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.982 8.948 1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.419 7.762 0.517 1.00 0.00 H new ATOM 719 N MET A 46 1.777 5.778 1.316 1.00 0.00 N ATOM 720 CA MET A 46 2.352 4.434 1.180 1.00 0.00 C ATOM 721 C MET A 46 3.297 4.099 2.339 1.00 0.00 C ATOM 722 O MET A 46 3.204 3.016 2.908 1.00 0.00 O ATOM 723 CB MET A 46 3.078 4.287 -0.166 1.00 0.00 C ATOM 724 CG MET A 46 2.917 2.893 -0.775 1.00 0.00 C ATOM 725 SD MET A 46 1.219 2.439 -1.219 1.00 0.00 S ATOM 726 CE MET A 46 1.550 0.953 -2.199 1.00 0.00 C ATOM 0 H MET A 46 2.045 6.416 0.567 1.00 0.00 H new ATOM 0 HA MET A 46 1.527 3.723 1.212 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.694 5.031 -0.864 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.138 4.498 -0.027 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.539 2.830 -1.668 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.300 2.158 -0.067 1.00 0.00 H new ATOM 0 HE1 MET A 46 0.609 0.536 -2.557 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.180 1.211 -3.050 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.061 0.216 -1.580 1.00 0.00 H new ATOM 736 N ALA A 47 4.157 5.044 2.738 1.00 0.00 N ATOM 737 CA ALA A 47 5.039 4.913 3.898 1.00 0.00 C ATOM 738 C ALA A 47 4.255 4.632 5.193 1.00 0.00 C ATOM 739 O ALA A 47 4.592 3.717 5.942 1.00 0.00 O ATOM 740 CB ALA A 47 5.864 6.201 4.018 1.00 0.00 C ATOM 0 H ALA A 47 4.259 5.936 2.253 1.00 0.00 H new ATOM 0 HA ALA A 47 5.698 4.057 3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.531 6.127 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.454 6.341 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.194 7.051 4.150 1.00 0.00 H new ATOM 746 N LEU A 48 3.156 5.356 5.425 1.00 0.00 N ATOM 747 CA LEU A 48 2.311 5.197 6.614 1.00 0.00 C ATOM 748 C LEU A 48 1.635 3.811 6.688 1.00 0.00 C ATOM 749 O LEU A 48 1.557 3.246 7.783 1.00 0.00 O ATOM 750 CB LEU A 48 1.320 6.379 6.660 1.00 0.00 C ATOM 751 CG LEU A 48 1.994 7.722 7.018 1.00 0.00 C ATOM 752 CD1 LEU A 48 1.103 8.905 6.635 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.291 7.820 8.517 1.00 0.00 C ATOM 0 H LEU A 48 2.824 6.078 4.785 1.00 0.00 H new ATOM 0 HA LEU A 48 2.929 5.226 7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.830 6.472 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.541 6.164 7.392 1.00 0.00 H new ATOM 0 HG LEU A 48 2.927 7.758 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.603 9.837 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.914 8.886 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.157 8.836 7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.765 8.778 8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.360 7.742 9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.960 7.010 8.809 1.00 0.00 H new ATOM 765 N ILE A 49 1.253 3.194 5.556 1.00 0.00 N ATOM 766 CA ILE A 49 0.774 1.789 5.527 1.00 0.00 C ATOM 767 C ILE A 49 1.899 0.743 5.544 1.00 0.00 C ATOM 768 O ILE A 49 1.645 -0.416 5.879 1.00 0.00 O ATOM 769 CB ILE A 49 -0.224 1.505 4.383 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.383 1.550 2.969 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.403 2.477 4.484 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.557 1.017 1.876 1.00 0.00 C ATOM 0 H ILE A 49 1.265 3.644 4.641 1.00 0.00 H new ATOM 0 HA ILE A 49 0.233 1.681 6.467 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.553 0.475 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.655 2.579 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.304 0.967 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.109 2.278 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.902 2.345 5.444 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.038 3.501 4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.061 1.080 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.809 -0.022 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.468 1.615 1.857 1.00 0.00 H new ATOM 784 N LYS A 50 3.140 1.137 5.234 1.00 0.00 N ATOM 785 CA LYS A 50 4.358 0.317 5.373 1.00 0.00 C ATOM 786 C LYS A 50 4.959 0.357 6.792 1.00 0.00 C ATOM 787 O LYS A 50 5.784 -0.495 7.120 1.00 0.00 O ATOM 788 CB LYS A 50 5.365 0.735 4.273 1.00 0.00 C ATOM 789 CG LYS A 50 5.932 -0.422 3.444 1.00 0.00 C ATOM 790 CD LYS A 50 4.914 -1.259 2.653 1.00 0.00 C ATOM 791 CE LYS A 50 4.246 -0.549 1.472 1.00 0.00 C ATOM 792 NZ LYS A 50 3.163 -1.408 0.943 1.00 0.00 N ATOM 0 H LYS A 50 3.335 2.068 4.866 1.00 0.00 H new ATOM 0 HA LYS A 50 4.094 -0.731 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.875 1.439 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.193 1.267 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.659 -0.015 2.741 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.475 -1.088 4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.417 -2.151 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.136 -1.595 3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.843 0.412 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.979 -0.345 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.704 -0.933 0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.562 -2.315 0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.461 -1.581 1.690 1.00 0.00 H new ATOM 806 N LEU A 51 4.504 1.299 7.629 1.00 0.00 N ATOM 807 CA LEU A 51 4.834 1.448 9.057 1.00 0.00 C ATOM 808 C LEU A 51 3.706 0.920 9.972 1.00 0.00 C ATOM 809 O LEU A 51 3.977 0.291 10.997 1.00 0.00 O ATOM 810 CB LEU A 51 5.145 2.943 9.308 1.00 0.00 C ATOM 811 CG LEU A 51 6.163 3.235 10.428 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.558 4.713 10.397 1.00 0.00 C ATOM 813 CD2 LEU A 51 5.656 2.921 11.835 1.00 0.00 C ATOM 0 H LEU A 51 3.858 2.021 7.311 1.00 0.00 H new ATOM 0 HA LEU A 51 5.705 0.842 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.518 3.378 8.381 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.212 3.454 9.548 1.00 0.00 H new ATOM 0 HG LEU A 51 7.009 2.577 10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.278 4.914 11.191 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.006 4.950 9.432 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.672 5.330 10.546 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.433 3.155 12.562 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.770 3.521 12.045 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.402 1.863 11.903 1.00 0.00 H new ATOM 825 N GLY A 52 2.439 1.145 9.605 1.00 0.00 N ATOM 826 CA GLY A 52 1.256 0.647 10.326 1.00 0.00 C ATOM 827 C GLY A 52 0.394 1.718 11.010 1.00 0.00 C ATOM 828 O GLY A 52 -0.341 1.414 11.948 1.00 0.00 O ATOM 0 H GLY A 52 2.199 1.692 8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.630 0.097 9.623 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.587 -0.064 11.082 1.00 0.00 H new ATOM 832 N GLU A 53 0.468 2.973 10.562 1.00 0.00 N ATOM 833 CA GLU A 53 -0.449 4.058 10.957 1.00 0.00 C ATOM 834 C GLU A 53 -1.450 4.316 9.810 1.00 0.00 C ATOM 835 O GLU A 53 -1.584 5.421 9.282 1.00 0.00 O ATOM 836 CB GLU A 53 0.325 5.296 11.452 1.00 0.00 C ATOM 837 CG GLU A 53 1.499 5.019 12.421 1.00 0.00 C ATOM 838 CD GLU A 53 1.139 4.248 13.704 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.044 4.464 14.281 1.00 0.00 O ATOM 840 OE2 GLU A 53 1.965 3.418 14.167 1.00 0.00 O ATOM 0 H GLU A 53 1.182 3.276 9.899 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.045 3.764 11.821 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.714 5.828 10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.378 5.966 11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.264 4.458 11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.944 5.973 12.705 1.00 0.00 H new ATOM 848 N TYR A 54 -2.126 3.246 9.381 1.00 0.00 N ATOM 849 CA TYR A 54 -3.027 3.213 8.224 1.00 0.00 C ATOM 850 C TYR A 54 -4.159 4.251 8.319 1.00 0.00 C ATOM 851 O TYR A 54 -4.526 4.843 7.303 1.00 0.00 O ATOM 852 CB TYR A 54 -3.625 1.803 8.037 1.00 0.00 C ATOM 853 CG TYR A 54 -2.722 0.613 8.342 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.615 0.138 9.665 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.047 -0.065 7.308 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.859 -1.015 9.948 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.265 -1.205 7.593 1.00 0.00 C ATOM 858 CZ TYR A 54 -1.191 -1.700 8.912 1.00 0.00 C ATOM 859 OH TYR A 54 -0.489 -2.831 9.197 1.00 0.00 O ATOM 0 H TYR A 54 -2.058 2.342 9.849 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.421 3.471 7.356 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.510 1.726 8.669 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.962 1.714 7.004 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.116 0.662 10.466 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.128 0.290 6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.790 -1.377 10.963 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.723 -1.699 6.800 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.089 -3.183 8.375 1.00 0.00 H new ATOM 869 N THR A 55 -4.665 4.547 9.521 1.00 0.00 N ATOM 870 CA THR A 55 -5.689 5.592 9.728 1.00 0.00 C ATOM 871 C THR A 55 -5.160 6.998 9.390 1.00 0.00 C ATOM 872 O THR A 55 -5.928 7.849 8.941 1.00 0.00 O ATOM 873 CB THR A 55 -6.274 5.528 11.150 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.715 4.214 11.432 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.492 6.433 11.335 1.00 0.00 C ATOM 0 H THR A 55 -4.381 4.074 10.379 1.00 0.00 H new ATOM 0 HA THR A 55 -6.501 5.389 9.030 1.00 0.00 H new ATOM 0 HB THR A 55 -5.473 5.853 11.814 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.084 4.181 12.339 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.859 6.344 12.357 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.210 7.467 11.139 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.277 6.133 10.640 1.00 0.00 H new ATOM 883 N GLN A 56 -3.842 7.237 9.487 1.00 0.00 N ATOM 884 CA GLN A 56 -3.223 8.476 8.980 1.00 0.00 C ATOM 885 C GLN A 56 -3.099 8.473 7.448 1.00 0.00 C ATOM 886 O GLN A 56 -3.211 9.517 6.801 1.00 0.00 O ATOM 887 CB GLN A 56 -1.829 8.699 9.591 1.00 0.00 C ATOM 888 CG GLN A 56 -1.742 8.449 11.098 1.00 0.00 C ATOM 889 CD GLN A 56 -2.748 9.220 11.938 1.00 0.00 C ATOM 890 OE1 GLN A 56 -3.151 10.341 11.647 1.00 0.00 O ATOM 891 NE2 GLN A 56 -3.174 8.634 13.031 1.00 0.00 N ATOM 0 H GLN A 56 -3.181 6.587 9.913 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.885 9.289 9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.118 8.045 9.087 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.519 9.724 9.388 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.879 7.383 11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.738 8.705 11.436 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.839 7.702 13.273 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.840 9.111 13.639 1.00 0.00 H new ATOM 900 N ALA A 57 -2.875 7.295 6.855 1.00 0.00 N ATOM 901 CA ALA A 57 -2.716 7.134 5.415 1.00 0.00 C ATOM 902 C ALA A 57 -4.031 7.334 4.646 1.00 0.00 C ATOM 903 O ALA A 57 -4.024 7.981 3.600 1.00 0.00 O ATOM 904 CB ALA A 57 -2.135 5.750 5.129 1.00 0.00 C ATOM 0 H ALA A 57 -2.799 6.419 7.372 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.034 7.909 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.013 5.622 4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.166 5.654 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.811 4.985 5.511 1.00 0.00 H new ATOM 910 N ILE A 58 -5.163 6.829 5.155 1.00 0.00 N ATOM 911 CA ILE A 58 -6.467 6.978 4.481 1.00 0.00 C ATOM 912 C ILE A 58 -6.926 8.444 4.429 1.00 0.00 C ATOM 913 O ILE A 58 -7.424 8.889 3.393 1.00 0.00 O ATOM 914 CB ILE A 58 -7.542 6.037 5.076 1.00 0.00 C ATOM 915 CG1 ILE A 58 -7.883 6.359 6.547 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.100 4.571 4.900 1.00 0.00 C ATOM 917 CD1 ILE A 58 -8.932 5.430 7.172 1.00 0.00 C ATOM 0 H ILE A 58 -5.205 6.312 6.033 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.327 6.664 3.447 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.467 6.201 4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.969 6.306 7.139 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.243 7.386 6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.858 3.910 5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.975 4.353 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.154 4.412 5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.111 5.727 8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.862 5.500 6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.569 4.403 7.148 1.00 0.00 H new ATOM 929 N GLN A 59 -6.649 9.220 5.484 1.00 0.00 N ATOM 930 CA GLN A 59 -6.837 10.674 5.501 1.00 0.00 C ATOM 931 C GLN A 59 -5.945 11.356 4.454 1.00 0.00 C ATOM 932 O GLN A 59 -6.441 12.144 3.650 1.00 0.00 O ATOM 933 CB GLN A 59 -6.624 11.191 6.931 1.00 0.00 C ATOM 934 CG GLN A 59 -6.593 12.728 7.077 1.00 0.00 C ATOM 935 CD GLN A 59 -5.194 13.328 6.934 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.227 12.853 7.518 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.026 14.385 6.171 1.00 0.00 N ATOM 0 H GLN A 59 -6.283 8.850 6.361 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.858 10.928 5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.419 10.798 7.564 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.685 10.787 7.310 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.247 13.169 6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.998 13.000 8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.822 14.791 5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.099 14.800 6.071 1.00 0.00 H new ATOM 946 N MET A 60 -4.658 10.996 4.380 1.00 0.00 N ATOM 947 CA MET A 60 -3.742 11.521 3.357 1.00 0.00 C ATOM 948 C MET A 60 -4.171 11.150 1.922 1.00 0.00 C ATOM 949 O MET A 60 -3.994 11.947 1.001 1.00 0.00 O ATOM 950 CB MET A 60 -2.309 11.066 3.672 1.00 0.00 C ATOM 951 CG MET A 60 -1.289 11.813 2.804 1.00 0.00 C ATOM 952 SD MET A 60 0.452 11.541 3.231 1.00 0.00 S ATOM 953 CE MET A 60 0.541 12.379 4.834 1.00 0.00 C ATOM 0 H MET A 60 -4.223 10.336 5.024 1.00 0.00 H new ATOM 0 HA MET A 60 -3.781 12.610 3.392 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.092 11.241 4.726 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.219 9.993 3.502 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.440 11.520 1.765 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.498 12.881 2.868 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.584 12.488 5.130 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.081 13.364 4.756 1.00 0.00 H new ATOM 0 HE3 MET A 60 0.011 11.790 5.582 1.00 0.00 H new ATOM 963 N CYS A 61 -4.798 9.984 1.716 1.00 0.00 N ATOM 964 CA CYS A 61 -5.347 9.589 0.415 1.00 0.00 C ATOM 965 C CYS A 61 -6.542 10.462 0.005 1.00 0.00 C ATOM 966 O CYS A 61 -6.548 11.012 -1.097 1.00 0.00 O ATOM 967 CB CYS A 61 -5.731 8.098 0.415 1.00 0.00 C ATOM 968 SG CYS A 61 -4.265 7.043 0.595 1.00 0.00 S ATOM 0 H CYS A 61 -4.938 9.288 2.449 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.565 9.745 -0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.428 7.899 1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.247 7.853 -0.513 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.803 7.145 1.806 1.00 0.00 H new ATOM 974 N GLN A 62 -7.523 10.649 0.893 1.00 0.00 N ATOM 975 CA GLN A 62 -8.692 11.502 0.627 1.00 0.00 C ATOM 976 C GLN A 62 -8.296 12.984 0.470 1.00 0.00 C ATOM 977 O GLN A 62 -8.823 13.672 -0.406 1.00 0.00 O ATOM 978 CB GLN A 62 -9.743 11.263 1.727 1.00 0.00 C ATOM 979 CG GLN A 62 -10.398 9.874 1.564 1.00 0.00 C ATOM 980 CD GLN A 62 -11.375 9.488 2.674 1.00 0.00 C ATOM 981 OE1 GLN A 62 -11.441 10.078 3.746 1.00 0.00 O ATOM 982 NE2 GLN A 62 -12.169 8.462 2.470 1.00 0.00 N ATOM 0 H GLN A 62 -7.532 10.215 1.816 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.137 11.229 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.273 11.336 2.708 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.507 12.039 1.681 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.925 9.847 0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.611 9.121 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.131 7.956 1.585 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.823 8.171 3.196 1.00 0.00 H new ATOM 991 N GLN A 63 -7.278 13.439 1.206 1.00 0.00 N ATOM 992 CA GLN A 63 -6.620 14.739 1.037 1.00 0.00 C ATOM 993 C GLN A 63 -5.876 14.878 -0.309 1.00 0.00 C ATOM 994 O GLN A 63 -5.719 15.995 -0.800 1.00 0.00 O ATOM 995 CB GLN A 63 -5.695 14.932 2.253 1.00 0.00 C ATOM 996 CG GLN A 63 -4.851 16.217 2.293 1.00 0.00 C ATOM 997 CD GLN A 63 -3.375 15.937 2.028 1.00 0.00 C ATOM 998 OE1 GLN A 63 -3.006 15.659 0.793 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.548 15.930 2.936 1.00 0.00 N flip ATOM 0 H GLN A 63 -6.874 12.891 1.965 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.368 15.531 0.998 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.309 14.902 3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.017 14.080 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.226 16.921 1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.961 16.693 3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.837 16.145 3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.573 15.709 2.736 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.415 13.790 -0.941 1.00 0.00 N ATOM 1009 CA GLY A 64 -4.832 13.829 -2.293 1.00 0.00 C ATOM 1010 C GLY A 64 -5.865 13.862 -3.417 1.00 0.00 C ATOM 1011 O GLY A 64 -5.623 14.517 -4.426 1.00 0.00 O ATOM 0 H GLY A 64 -5.435 12.856 -0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.192 14.708 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.193 12.956 -2.427 1.00 0.00 H new ATOM 1015 N LEU A 65 -7.042 13.249 -3.251 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.116 13.301 -4.263 1.00 0.00 C ATOM 1017 C LEU A 65 -8.580 14.744 -4.545 1.00 0.00 C ATOM 1018 O LEU A 65 -8.837 15.078 -5.704 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.276 12.382 -3.841 1.00 0.00 C ATOM 1020 CG LEU A 65 -8.906 10.887 -3.809 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -10.077 10.075 -3.260 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -8.525 10.344 -5.190 1.00 0.00 C ATOM 0 H LEU A 65 -7.281 12.706 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.718 12.932 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.623 12.682 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.109 12.526 -4.529 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.034 10.790 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.809 9.019 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.310 10.410 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.949 10.216 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.274 9.287 -5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.365 10.466 -5.873 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.664 10.893 -5.572 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.536 15.634 -3.538 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.821 17.084 -3.658 1.00 0.00 C ATOM 1036 C ARG A 66 -8.018 17.806 -4.756 1.00 0.00 C ATOM 1037 O ARG A 66 -8.461 18.843 -5.249 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.586 17.793 -2.306 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.490 17.282 -1.172 1.00 0.00 C ATOM 1040 CD ARG A 66 -9.408 18.178 0.070 1.00 0.00 C ATOM 1041 NE ARG A 66 -10.246 17.661 1.169 1.00 0.00 N ATOM 1042 CZ ARG A 66 -10.767 18.344 2.173 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -10.572 19.619 2.330 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -11.495 17.711 3.040 1.00 0.00 N ATOM 0 H ARG A 66 -8.294 15.360 -2.586 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.869 17.145 -3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.544 17.662 -2.014 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.749 18.863 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.522 17.239 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.200 16.265 -0.906 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.372 18.246 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.727 19.188 -0.188 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.446 16.661 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.997 20.133 1.663 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.994 20.106 3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.654 16.709 2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.908 18.216 3.824 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.870 17.268 -5.175 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.992 17.832 -6.212 1.00 0.00 C ATOM 1060 C TYR A 67 -6.441 17.518 -7.663 1.00 0.00 C ATOM 1061 O TYR A 67 -5.910 18.094 -8.614 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.565 17.300 -5.950 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.826 17.912 -4.767 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -4.085 17.470 -3.454 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.835 18.892 -4.983 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.356 17.996 -2.370 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.114 19.430 -3.900 1.00 0.00 C ATOM 1068 CZ TYR A 67 -2.373 18.983 -2.588 1.00 0.00 C ATOM 1069 OH TYR A 67 -1.685 19.499 -1.533 1.00 0.00 O ATOM 0 H TYR A 67 -6.510 16.395 -4.789 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.035 18.919 -6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.624 16.222 -5.797 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.969 17.462 -6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.846 16.724 -3.278 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.628 19.232 -5.987 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.551 17.642 -1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.362 20.185 -4.074 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.255 20.337 -1.802 1.00 0.00 H new ATOM 1079 N THR A 68 -7.382 16.586 -7.876 1.00 0.00 N ATOM 1080 CA THR A 68 -7.389 15.746 -9.098 1.00 0.00 C ATOM 1081 C THR A 68 -8.395 16.090 -10.211 1.00 0.00 C ATOM 1082 O THR A 68 -8.519 15.332 -11.177 1.00 0.00 O ATOM 1083 CB THR A 68 -7.451 14.252 -8.749 1.00 0.00 C ATOM 1084 OG1 THR A 68 -8.677 13.900 -8.153 1.00 0.00 O ATOM 1085 CG2 THR A 68 -6.326 13.816 -7.814 1.00 0.00 C ATOM 0 H THR A 68 -8.145 16.391 -7.228 1.00 0.00 H new ATOM 0 HA THR A 68 -6.432 16.000 -9.554 1.00 0.00 H new ATOM 0 HB THR A 68 -7.341 13.736 -9.703 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.772 14.369 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.421 12.751 -7.602 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.364 14.007 -8.289 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.389 14.378 -6.882 1.00 0.00 H new ATOM 1093 N SER A 69 -9.080 17.235 -10.160 1.00 0.00 N ATOM 1094 CA SER A 69 -10.091 17.640 -11.164 1.00 0.00 C ATOM 1095 C SER A 69 -9.516 18.161 -12.504 1.00 0.00 C ATOM 1096 O SER A 69 -10.036 19.109 -13.097 1.00 0.00 O ATOM 1097 CB SER A 69 -11.111 18.613 -10.555 1.00 0.00 C ATOM 1098 OG SER A 69 -11.757 18.008 -9.450 1.00 0.00 O ATOM 0 H SER A 69 -8.953 17.921 -9.416 1.00 0.00 H new ATOM 0 HA SER A 69 -10.606 16.720 -11.440 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.609 19.527 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.848 18.898 -11.306 1.00 0.00 H new ATOM 0 HG SER A 69 -12.405 18.635 -9.066 1.00 0.00 H new ATOM 1104 N THR A 70 -8.418 17.579 -12.995 1.00 0.00 N ATOM 1105 CA THR A 70 -7.748 17.938 -14.261 1.00 0.00 C ATOM 1106 C THR A 70 -7.023 16.736 -14.865 1.00 0.00 C ATOM 1107 O THR A 70 -6.471 15.909 -14.137 1.00 0.00 O ATOM 1108 CB THR A 70 -6.757 19.107 -14.070 1.00 0.00 C ATOM 1109 OG1 THR A 70 -6.089 19.409 -15.279 1.00 0.00 O ATOM 1110 CG2 THR A 70 -5.666 18.830 -13.036 1.00 0.00 C ATOM 0 H THR A 70 -7.949 16.815 -12.508 1.00 0.00 H new ATOM 0 HA THR A 70 -8.528 18.259 -14.951 1.00 0.00 H new ATOM 0 HB THR A 70 -7.378 19.934 -13.725 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.468 20.153 -15.133 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.010 19.697 -12.958 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.125 18.634 -12.067 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.085 17.961 -13.344 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.940 16.680 -16.197 1.00 0.00 N ATOM 1119 CA ALA A 71 -6.144 15.694 -16.932 1.00 0.00 C ATOM 1120 C ALA A 71 -4.631 15.720 -16.602 1.00 0.00 C ATOM 1121 O ALA A 71 -3.933 14.750 -16.888 1.00 0.00 O ATOM 1122 CB ALA A 71 -6.384 15.917 -18.426 1.00 0.00 C ATOM 0 H ALA A 71 -7.434 17.332 -16.806 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.472 14.702 -16.621 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.803 15.195 -19.000 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.443 15.788 -18.648 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.077 16.927 -18.697 1.00 0.00 H new ATOM 1128 N GLU A 72 -4.120 16.781 -15.961 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.754 16.819 -15.405 1.00 0.00 C ATOM 1130 C GLU A 72 -2.585 15.853 -14.211 1.00 0.00 C ATOM 1131 O GLU A 72 -1.490 15.335 -13.996 1.00 0.00 O ATOM 1132 CB GLU A 72 -2.414 18.280 -15.039 1.00 0.00 C ATOM 1133 CG GLU A 72 -0.994 18.558 -14.522 1.00 0.00 C ATOM 1134 CD GLU A 72 0.114 18.321 -15.555 1.00 0.00 C ATOM 1135 OE1 GLU A 72 0.100 18.944 -16.646 1.00 0.00 O ATOM 1136 OE2 GLU A 72 1.047 17.533 -15.270 1.00 0.00 O ATOM 0 H GLU A 72 -4.644 17.643 -15.811 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.046 16.469 -16.156 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.580 18.898 -15.922 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.122 18.612 -14.280 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.941 19.592 -14.181 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.806 17.926 -13.654 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.663 15.543 -13.480 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.663 14.733 -12.251 1.00 0.00 C ATOM 1146 C HIS A 73 -4.677 13.562 -12.278 1.00 0.00 C ATOM 1147 O HIS A 73 -4.985 12.972 -11.239 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.865 15.664 -11.041 1.00 0.00 C ATOM 1149 CG HIS A 73 -2.809 16.733 -10.867 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.443 16.552 -10.797 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -3.035 18.076 -10.725 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -0.869 17.754 -10.632 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -1.801 18.721 -10.563 1.00 0.00 N ATOM 0 H HIS A 73 -4.597 15.861 -13.737 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.694 14.241 -12.169 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.837 16.148 -11.134 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.896 15.056 -10.137 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.002 18.557 -10.736 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.196 17.922 -10.564 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.643 19.719 -10.422 1.00 0.00 H new ATOM 1162 N VAL A 74 -5.184 13.165 -13.450 1.00 0.00 N ATOM 1163 CA VAL A 74 -6.104 12.016 -13.597 1.00 0.00 C ATOM 1164 C VAL A 74 -5.451 10.680 -13.196 1.00 0.00 C ATOM 1165 O VAL A 74 -6.118 9.824 -12.615 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.704 11.992 -15.019 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -5.678 11.668 -16.114 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -7.875 11.014 -15.130 1.00 0.00 C ATOM 0 H VAL A 74 -4.971 13.630 -14.332 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.927 12.149 -12.894 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.059 13.009 -15.184 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.171 11.669 -17.086 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.889 12.420 -16.107 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.245 10.685 -15.927 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.267 11.029 -16.147 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.533 10.008 -14.888 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.661 11.307 -14.434 1.00 0.00 H new ATOM 1178 N ALA A 75 -4.134 10.537 -13.388 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.339 9.380 -12.953 1.00 0.00 C ATOM 1180 C ALA A 75 -2.958 9.414 -11.456 1.00 0.00 C ATOM 1181 O ALA A 75 -2.485 8.417 -10.906 1.00 0.00 O ATOM 1182 CB ALA A 75 -2.096 9.293 -13.848 1.00 0.00 C ATOM 0 H ALA A 75 -3.574 11.244 -13.865 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.952 8.485 -13.059 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.488 8.441 -13.545 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.403 9.168 -14.886 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.512 10.208 -13.750 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.183 10.546 -10.775 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.117 10.673 -9.310 1.00 0.00 C ATOM 1190 C ILE A 76 -4.450 10.249 -8.677 1.00 0.00 C ATOM 1191 O ILE A 76 -4.465 9.617 -7.617 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.744 12.124 -8.934 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.341 12.543 -9.418 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -2.899 12.426 -7.441 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.157 11.741 -8.856 1.00 0.00 C ATOM 0 H ILE A 76 -3.422 11.422 -11.239 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.345 10.010 -8.920 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.474 12.729 -9.472 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.318 12.469 -10.505 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.192 13.593 -9.167 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.620 13.462 -7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.936 12.268 -7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.252 11.763 -6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.774 12.129 -9.269 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.138 11.833 -7.770 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.266 10.691 -9.129 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.573 10.548 -9.347 1.00 0.00 N ATOM 1208 CA ARG A 77 -6.929 10.146 -8.933 1.00 0.00 C ATOM 1209 C ARG A 77 -7.050 8.625 -8.786 1.00 0.00 C ATOM 1210 O ARG A 77 -7.639 8.158 -7.810 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.928 10.702 -9.963 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.375 10.769 -9.456 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.319 11.364 -10.513 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.395 10.507 -11.713 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.232 10.613 -12.724 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -12.118 11.561 -12.811 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -11.171 9.737 -13.684 1.00 0.00 N ATOM 0 H ARG A 77 -5.565 11.088 -10.212 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.150 10.559 -7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.611 11.702 -10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.896 10.080 -10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.713 9.768 -9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.416 11.373 -8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.315 11.484 -10.087 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.971 12.358 -10.795 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.720 9.744 -11.765 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.186 12.265 -12.076 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.745 11.601 -13.615 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -10.483 8.985 -13.645 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -11.811 9.802 -14.476 1.00 0.00 H new ATOM 1231 N SER A 78 -6.422 7.871 -9.693 1.00 0.00 N ATOM 1232 CA SER A 78 -6.289 6.413 -9.600 1.00 0.00 C ATOM 1233 C SER A 78 -5.319 5.981 -8.496 1.00 0.00 C ATOM 1234 O SER A 78 -5.703 5.149 -7.671 1.00 0.00 O ATOM 1235 CB SER A 78 -5.869 5.829 -10.949 1.00 0.00 C ATOM 1236 OG SER A 78 -4.607 6.321 -11.343 1.00 0.00 O ATOM 0 H SER A 78 -5.984 8.263 -10.527 1.00 0.00 H new ATOM 0 HA SER A 78 -7.268 6.018 -9.330 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.835 4.742 -10.884 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.613 6.080 -11.705 1.00 0.00 H new ATOM 0 HG SER A 78 -4.360 5.932 -12.208 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.112 6.580 -8.402 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.147 6.286 -7.317 1.00 0.00 C ATOM 1244 C LYS A 79 -3.807 6.328 -5.945 1.00 0.00 C ATOM 1245 O LYS A 79 -3.744 5.323 -5.240 1.00 0.00 O ATOM 1246 CB LYS A 79 -1.920 7.225 -7.295 1.00 0.00 C ATOM 1247 CG LYS A 79 -0.781 6.818 -8.237 1.00 0.00 C ATOM 1248 CD LYS A 79 0.483 7.640 -7.928 1.00 0.00 C ATOM 1249 CE LYS A 79 1.515 7.579 -9.058 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.390 6.384 -9.003 1.00 0.00 N ATOM 0 H LYS A 79 -3.780 7.276 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.796 5.278 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.246 8.232 -7.556 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.532 7.269 -6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.569 5.755 -8.125 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.082 6.975 -9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.203 8.679 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.935 7.272 -7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.994 7.593 -10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.135 8.474 -9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.062 6.409 -9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.914 6.379 -8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.808 5.524 -9.069 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.432 7.450 -5.560 1.00 0.00 N ATOM 1265 CA LEU A 80 -4.972 7.595 -4.202 1.00 0.00 C ATOM 1266 C LEU A 80 -6.200 6.705 -3.946 1.00 0.00 C ATOM 1267 O LEU A 80 -6.350 6.241 -2.820 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.218 9.074 -3.805 1.00 0.00 C ATOM 1269 CG LEU A 80 -3.998 9.917 -3.359 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -2.977 9.149 -2.522 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.261 10.519 -4.550 1.00 0.00 C ATOM 0 H LEU A 80 -4.575 8.261 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.191 7.229 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.679 9.576 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.947 9.086 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.434 10.698 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.155 9.812 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.455 8.776 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.590 8.309 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.412 11.103 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.905 9.719 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.938 11.166 -5.108 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.030 6.383 -4.946 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.159 5.458 -4.745 1.00 0.00 C ATOM 1285 C GLN A 81 -7.741 3.986 -4.676 1.00 0.00 C ATOM 1286 O GLN A 81 -8.268 3.266 -3.821 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.259 5.702 -5.791 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.188 6.807 -5.271 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.067 7.422 -6.345 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.281 7.271 -6.358 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.492 8.160 -7.263 1.00 0.00 N ATOM 0 H GLN A 81 -6.945 6.744 -5.896 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.572 5.680 -3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.818 5.995 -6.744 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -9.822 4.786 -5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.823 6.396 -4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.585 7.592 -4.815 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.480 8.288 -7.255 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.056 8.607 -7.986 1.00 0.00 H new ATOM 1300 N TYR A 82 -6.765 3.535 -5.475 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.279 2.155 -5.364 1.00 0.00 C ATOM 1302 C TYR A 82 -5.427 1.963 -4.101 1.00 0.00 C ATOM 1303 O TYR A 82 -5.587 0.953 -3.424 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.589 1.672 -6.655 1.00 0.00 C ATOM 1305 CG TYR A 82 -4.086 1.475 -6.557 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.558 0.380 -5.841 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -3.217 2.403 -7.156 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -2.169 0.237 -5.675 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -1.827 2.239 -7.034 1.00 0.00 C ATOM 1310 CZ TYR A 82 -1.295 1.157 -6.295 1.00 0.00 C ATOM 1311 OH TYR A 82 0.049 0.976 -6.215 1.00 0.00 O ATOM 0 H TYR A 82 -6.304 4.094 -6.193 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.147 1.506 -5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.043 0.728 -6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.793 2.393 -7.447 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.226 -0.355 -5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.617 3.240 -7.709 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -1.773 -0.571 -5.077 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.160 2.944 -7.508 1.00 0.00 H new ATOM 0 HH TYR A 82 0.505 1.697 -6.696 1.00 0.00 H new ATOM 1321 N ARG A 83 -4.573 2.922 -3.703 1.00 0.00 N ATOM 1322 CA ARG A 83 -3.812 2.783 -2.445 1.00 0.00 C ATOM 1323 C ARG A 83 -4.627 3.061 -1.178 1.00 0.00 C ATOM 1324 O ARG A 83 -4.213 2.643 -0.106 1.00 0.00 O ATOM 1325 CB ARG A 83 -2.416 3.392 -2.524 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.316 4.906 -2.339 1.00 0.00 C ATOM 1327 CD ARG A 83 -0.857 5.315 -2.544 1.00 0.00 C ATOM 1328 NE ARG A 83 -0.306 4.978 -3.883 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.988 4.853 -4.143 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.886 5.303 -3.325 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.453 4.272 -5.206 1.00 0.00 N ATOM 0 H ARG A 83 -4.393 3.783 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.604 1.720 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.793 2.915 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.989 3.139 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.959 5.420 -3.053 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.655 5.191 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.769 6.390 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.246 4.832 -1.781 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.964 4.834 -4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.603 5.764 -2.461 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.876 5.196 -3.545 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.811 3.881 -5.896 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.460 4.206 -5.352 1.00 0.00 H new ATOM 1345 N LEU A 84 -5.839 3.612 -1.304 1.00 0.00 N ATOM 1346 CA LEU A 84 -6.874 3.579 -0.263 1.00 0.00 C ATOM 1347 C LEU A 84 -7.548 2.198 -0.157 1.00 0.00 C ATOM 1348 O LEU A 84 -7.741 1.682 0.943 1.00 0.00 O ATOM 1349 CB LEU A 84 -7.877 4.703 -0.563 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.062 4.860 0.404 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -8.636 4.932 1.867 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -9.786 6.165 0.078 1.00 0.00 C ATOM 0 H LEU A 84 -6.134 4.103 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.423 3.746 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.331 5.646 -0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.276 4.542 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.695 3.982 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.518 5.043 2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.109 4.017 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.977 5.788 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.630 6.292 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.098 7.002 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.147 6.134 -0.950 1.00 0.00 H new ATOM 1364 N GLU A 85 -7.845 1.548 -1.286 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.234 0.123 -1.306 1.00 0.00 C ATOM 1366 C GLU A 85 -7.121 -0.772 -0.717 1.00 0.00 C ATOM 1367 O GLU A 85 -7.415 -1.693 0.044 1.00 0.00 O ATOM 1368 CB GLU A 85 -8.584 -0.331 -2.738 1.00 0.00 C ATOM 1369 CG GLU A 85 -9.890 0.245 -3.312 1.00 0.00 C ATOM 1370 CD GLU A 85 -11.098 -0.686 -3.143 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -12.167 -0.219 -2.680 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -11.001 -1.884 -3.508 1.00 0.00 O ATOM 0 H GLU A 85 -7.825 1.984 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.121 0.016 -0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.763 -0.054 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.650 -1.419 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.103 1.196 -2.824 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.749 0.456 -4.372 1.00 0.00 H new ATOM 1380 N LEU A 86 -5.845 -0.479 -0.999 1.00 0.00 N ATOM 1381 CA LEU A 86 -4.689 -1.240 -0.503 1.00 0.00 C ATOM 1382 C LEU A 86 -4.304 -0.899 0.951 1.00 0.00 C ATOM 1383 O LEU A 86 -3.847 -1.783 1.670 1.00 0.00 O ATOM 1384 CB LEU A 86 -3.504 -1.092 -1.486 1.00 0.00 C ATOM 1385 CG LEU A 86 -2.862 -2.409 -1.968 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -2.294 -3.251 -0.826 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -3.834 -3.264 -2.787 1.00 0.00 C ATOM 0 H LEU A 86 -5.581 0.309 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.978 -2.290 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.848 -0.537 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.733 -0.488 -1.008 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.035 -2.098 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.857 -4.164 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.526 -2.682 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.093 -3.508 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.335 -4.180 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.701 -3.515 -2.176 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.158 -2.706 -3.665 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.571 0.318 1.441 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.486 0.644 2.870 1.00 0.00 C ATOM 1401 C ALA A 87 -5.470 -0.203 3.686 1.00 0.00 C ATOM 1402 O ALA A 87 -5.085 -0.843 4.666 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.769 2.140 3.074 1.00 0.00 C ATOM 0 H ALA A 87 -4.852 1.105 0.857 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.479 0.417 3.221 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.706 2.381 4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.034 2.728 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.769 2.374 2.708 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.718 -0.289 3.211 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.733 -1.202 3.744 1.00 0.00 C ATOM 1411 C GLN A 88 -7.305 -2.679 3.582 1.00 0.00 C ATOM 1412 O GLN A 88 -7.664 -3.515 4.409 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.086 -0.896 3.079 1.00 0.00 C ATOM 1414 CG GLN A 88 -9.623 0.495 3.475 1.00 0.00 C ATOM 1415 CD GLN A 88 -10.823 0.903 2.629 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -11.968 0.905 3.069 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -10.605 1.274 1.389 1.00 0.00 N ATOM 0 H GLN A 88 -7.055 0.282 2.435 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.840 -1.043 4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.977 -0.948 1.996 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.811 -1.659 3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.906 0.489 4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -8.831 1.235 3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.656 1.275 1.016 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.385 1.561 0.798 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.470 -2.983 2.580 1.00 0.00 N ATOM 1427 CA GLY A 89 -5.810 -4.274 2.348 1.00 0.00 C ATOM 1428 C GLY A 89 -4.783 -4.661 3.416 1.00 0.00 C ATOM 1429 O GLY A 89 -4.806 -5.772 3.958 1.00 0.00 O ATOM 0 H GLY A 89 -6.223 -2.295 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.571 -5.053 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.314 -4.245 1.378 1.00 0.00 H new ATOM 1433 N ALA A 90 -3.874 -3.744 3.742 1.00 0.00 N ATOM 1434 CA ALA A 90 -2.796 -3.976 4.700 1.00 0.00 C ATOM 1435 C ALA A 90 -3.300 -4.022 6.160 1.00 0.00 C ATOM 1436 O ALA A 90 -2.704 -4.718 6.990 1.00 0.00 O ATOM 1437 CB ALA A 90 -1.718 -2.909 4.461 1.00 0.00 C ATOM 0 H ALA A 90 -3.866 -2.806 3.342 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.362 -4.963 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.898 -3.057 5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.342 -2.993 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.148 -1.918 4.608 1.00 0.00 H new ATOM 1443 N VAL A 91 -4.414 -3.341 6.469 1.00 0.00 N ATOM 1444 CA VAL A 91 -5.008 -3.264 7.826 1.00 0.00 C ATOM 1445 C VAL A 91 -6.041 -4.367 8.141 1.00 0.00 C ATOM 1446 O VAL A 91 -6.404 -4.540 9.311 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.569 -1.842 8.058 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -6.924 -1.640 7.384 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.704 -1.462 9.534 1.00 0.00 C ATOM 0 H VAL A 91 -4.943 -2.815 5.773 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.206 -3.459 8.538 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.825 -1.187 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.278 -0.627 7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.822 -1.793 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.641 -2.356 7.786 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.104 -0.451 9.614 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.379 -2.160 10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.725 -1.504 10.012 1.00 0.00 H new